UCSF

ZINC36781036

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 15 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.03 0.33 -11.67 4 5 0 80 208.265 5
Mid Mid (pH 6-8) 1.03 0.79 -32.06 5 5 1 81 209.273 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )